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ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridinyl]sulfanyl}methyl)-2-(isobutylamino)-1,3-thiazole-5-carboxylate
SpectraBase Compound ID 1YwNi7WxHiJ
InChI InChI=1S/C21H24F2N4O2S2/c1-4-29-20(28)17-16(27-21(31-17)25-9-11(2)3)10-30-19-14(8-24)13(12-5-6-12)7-15(26-19)18(22)23/h7,11-12,18H,4-6,9-10H2,1-3H3,(H,25,27)
InChIKey DNGOPEVZTOYYOI-UHFFFAOYSA-N
Mol Weight 466.57 g/mol
Molecular Formula C21H24F2N4O2S2
Exact Mass 466.130875 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BxPCv6qGQrL
Name ethyl 4-({[3-cyano-4-cyclopropyl-6-(difluoromethyl)-2-pyridinyl]sulfanyl}methyl)-2-(isobutylamino)-1,3-thiazole-5-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H24F2N4O2S2/c1-4-29-20(28)17-16(27-21(31-17)25-9-11(2)3)10-30-19-14(8-24)13(12-5-6-12)7-15(26-19)18(22)23/h7,11-12,18H,4-6,9-10H2,1-3H3,(H,25,27)
InChIKey DNGOPEVZTOYYOI-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33525
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1969243; SBI_ID: SBI-033529
Temperature 297 °C